CID 137700166

Isopropyl u-47700

Structural Information

Molecular Formula
C18H26Cl2N2O
SMILES
CC(C)N([C@@H]1CCCC[C@H]1N(C)C)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H26Cl2N2O/c1-12(2)22(17-8-6-5-7-16(17)21(3)4)18(23)13-9-10-14(19)15(20)11-13/h9-12,16-17H,5-8H2,1-4H3/t16-,17-/m1/s1
InChIKey
LGYQSYWASFBSHJ-IAGOWNOFSA-N
Compound name
3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.1422 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14948 185.0
[M+Na]+ 379.13142 189.2
[M-H]- 355.13492 192.5
[M+NH4]+ 374.17602 199.8
[M+K]+ 395.10536 185.5
[M+H-H2O]+ 339.13946 178.4
[M+HCOO]- 401.14040 195.7
[M+CH3COO]- 415.15605 225.1
[M+Na-2H]- 377.11687 181.5
[M]+ 356.14165 186.8
[M]- 356.14275 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.